Information card for entry 4074915

Structure parameters

• Common name: Nickel-Complex
• Formula: C43 H49 Cl2 Ni P S6 Si2
• Calculated formula: C43 H49 Cl2 Ni P S6 Si2
• Title of publication: Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization
• Authors of publication: Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2374
• a: 13.722 ± 0.004 Å
• b: 21.866 ± 0.006 Å
• c: 16.436 ± 0.005 Å
• α: 90 ± 0.0013°
• β: 101.82 ± 0.0015°
• γ: 90 ± 0.0013°
• Cell volume: 4827 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No